6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

C18H18F2N4O3 — CID 171735994

IUPAC6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1nc(OC)c(F)c(N2Cc3cnc(CN)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C18H18F2N4O3/c1-26-15-12(19)14(13(20)16(23-15)27-2)24-8-9-7-22-10(6-21)5-11(9)18(3-4-18)17(24)25/h5,7H,3-4,6,8,21H2,1-2H3
InChIKeySIOAALIYLBHFLA-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.81
Rot. Bonds4

About 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 171735994) has the molecular formula C18H18F2N4O3 and a molecular weight of 376.36 g/mol. Its IUPAC name is 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID171735994
Molecular FormulaC18H18F2N4O3
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1nc(OC)c(F)c(N2Cc3cnc(CN)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C18H18F2N4O3/c1-26-15-12(19)14(13(20)16(23-15)27-2)24-8-9-7-22-10(6-21)5-11(9)18(3-4-18)17(24)25/h5,7H,3-4,6,8,21H2,1-2H3
InChIKeySIOAALIYLBHFLA-UHFFFAOYSA-N
XLogP1.81
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 171735994) is 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1nc(OC)c(F)c(N2Cc3cnc(CN)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is SIOAALIYLBHFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O3/c1-26-15-12(19)14(13(20)16(23-15)27-2)24-8-9-7-22-10(6-21)5-11(9)18(3-4-18)17(24)25/h5,7H,3-4,6,8,21H2,1-2H3.
What are the key properties of 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 376.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-(3,5-difluoro-2,6-dimethoxy-4-pyridinyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 171735994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).